(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide

C14H9BrF3NO3 — CID 43034350

IUPAC(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9BrF3NO3/c15-12-7-5-9(21-12)6-8-13(20)19-10-3-1-2-4-11(10)22-14(16,17)18/h1-8H,(H,19,20)/b8-6+
InChIKeyRQLKJLNAAIFJIN-SOFGYWHQSA-N
MW376.13 g/mol
LogP4.59
Rot. Bonds4

About (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 43034350) has the molecular formula C14H9BrF3NO3 and a molecular weight of 376.13 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID43034350
Molecular FormulaC14H9BrF3NO3
Molecular Weight376.13 g/mol
Exact Mass374.97
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9BrF3NO3/c15-12-7-5-9(21-12)6-8-13(20)19-10-3-1-2-4-11(10)22-14(16,17)18/h1-8H,(H,19,20)/b8-6+
InChIKeyRQLKJLNAAIFJIN-SOFGYWHQSA-N
XLogP4.59
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 43034350) is (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is RQLKJLNAAIFJIN-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H9BrF3NO3/c15-12-7-5-9(21-12)6-8-13(20)19-10-3-1-2-4-11(10)22-14(16,17)18/h1-8H,(H,19,20)/b8-6+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 376.13 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 43034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).